1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid

C11H19NO3 — CID 116958211

IUPAC1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(C1CCOCC1)C1(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-12-9(8-2-6-15-7-3-8)11(4-5-11)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyNPVUJQHXUMXFCN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.87
Rot. Bonds4

About 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid

1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116958211) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116958211
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(C1CCOCC1)C1(C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-12-9(8-2-6-15-7-3-8)11(4-5-11)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyNPVUJQHXUMXFCN-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959388
1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958209
3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959386
1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958981
3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 116958494
1-(1-methoxycyclopentyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 104610994
2-amino-3-(methylamino)-3-(oxan-4-yl)propanoic acid
CID 116957433
N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine
CID 63935895
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
(E)-4-(methylamino)-4-(oxan-4-yl)but-2-enoic acid
CID 116956389
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid (CID 116958211) is 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid is CNC(C1CCOCC1)C1(C(=O)O)CC1.
What is the InChIKey of 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NPVUJQHXUMXFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12-9(8-2-6-15-7-3-8)11(4-5-11)10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid?
1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116958211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).